6-Cyanouridine 5′-Monophosphate

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Properties Simple | Detailed

Formula C10H12N3O9P++
IUPAC Name [(2r,3s,4r,5r)-5-(6-cyano-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Molecular Mass 349.191 g·mol−1
Heat of Formation -1717.2 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 349.03 Å 3
Surface Area 304.61 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy -2.04 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-cyano-2,4-diketo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-cyano-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-cyano-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-cyano-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey GCVKNFUDFHDSJQ-ZOQUXTDFSA-N
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